2,2-difluoro-3-(pentan-2-ylamino)propan-1-ol

C8H17F2NO — CID 104860578

IUPAC2,2-difluoro-3-(pentan-2-ylamino)propan-1-ol
SMILESCCCC(C)NCC(F)(F)CO
InChIInChI=1S/C8H17F2NO/c1-3-4-7(2)11-5-8(9,10)6-12/h7,11-12H,3-6H2,1-2H3
InChIKeyMDLQQZSLOFBPPB-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.39
Rot. Bonds6

About 2,2-difluoro-3-(pentan-2-ylamino)propan-1-ol

2,2-difluoro-3-(pentan-2-ylamino)propan-1-ol (PubChem CID 104860578) has the molecular formula C8H17F2NO and a molecular weight of 181.23 g/mol. Its IUPAC name is 2,2-difluoro-3-(pentan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-(pentan-2-ylamino)propan-1-ol
PubChem CID104860578
Molecular FormulaC8H17F2NO
Molecular Weight181.23 g/mol
Exact Mass181.13
IUPAC Name2,2-difluoro-3-(pentan-2-ylamino)propan-1-ol
SMILESCCCC(C)NCC(F)(F)CO
InChIInChI=1S/C8H17F2NO/c1-3-4-7(2)11-5-8(9,10)6-12/h7,11-12H,3-6H2,1-2H3
InChIKeyMDLQQZSLOFBPPB-UHFFFAOYSA-N
XLogP1.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,2-Difluoroethylamino)butan-1-ol
CID 83176464
4,4,4-Trifluoro-3-(methylamino)butan-1-ol
CID 83815517
3-(Ethylamino)-4,4,4-trifluorobutan-1-ol
CID 83816247
4,4,4-Trifluoro-3-(propan-2-ylamino)butan-1-ol
CID 83817419
1,1,1-Trifluoro-4-(2-methylpropylamino)hexan-2-ol
CID 89162252
3-[(3,3-Difluorocyclobutyl)amino]propan-1-ol
CID 89582110
2,2-Difluoro-3-[(3-methylcyclobutyl)amino]propan-1-ol
CID 104860563
2,2-Difluoro-3-(propan-2-ylamino)propan-1-ol
CID 104860621
3-(Butylamino)-2,2-difluoropropan-1-ol
CID 106173032
2-Fluoro-3-(propan-2-ylamino)propan-1-ol
CID 117797846
1-[[(3R)-1-amino-4-fluoropentan-3-yl]amino]pentan-3-ol
CID 121288191
1-[[(3R,4S)-1-amino-4-fluoropentan-3-yl]amino]pentan-3-ol
CID 121290171

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(pentan-2-ylamino)propan-1-ol?
The IUPAC name of 2,2-difluoro-3-(pentan-2-ylamino)propan-1-ol (CID 104860578) is 2,2-difluoro-3-(pentan-2-ylamino)propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-(pentan-2-ylamino)propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-(pentan-2-ylamino)propan-1-ol is CCCC(C)NCC(F)(F)CO.
What is the InChIKey of 2,2-difluoro-3-(pentan-2-ylamino)propan-1-ol?
The InChIKey is MDLQQZSLOFBPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2NO/c1-3-4-7(2)11-5-8(9,10)6-12/h7,11-12H,3-6H2,1-2H3.
What are the key properties of 2,2-difluoro-3-(pentan-2-ylamino)propan-1-ol?
2,2-difluoro-3-(pentan-2-ylamino)propan-1-ol has a molecular weight of 181.23 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(pentan-2-ylamino)propan-1-ol is sourced from PubChem (CID 104860578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).